CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pyrogallic acid is an odorless white to gray solid. Sinks and mixes with water. (USCG, 1999) |
|---|---|
| Color/Form | White, lustrous crystals or plates |
| Odor | Odorless |
| Boiling Point | 588 °F at 760 mmHg (Decomposes at 559 °F) (NTP, 1992) |
| Melting Point | 271 to 273 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 77 °F (NTP, 1992) |
| Density | 1.45 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 10 mmHg at 333.9 °F (NTP, 1992) |
| LogP | 0.970 (estimated) |
| Stability/Shelf Life | BECOMES GRAYISH ON EXPOSURE TO AIR & LIGHT; AQ SOLN DARKENS ON EXPOSURE TO AIR, QUITE RAPIDLY WHEN ALKALINE |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Combustion | 2.673 MJ/mol (638.9 kcal/mol) |
| Refractive Index | Index of refraction: 1.561 at 134 °C/D |
| Dissociation Constants | pKa = 9.01 |
| Kovats Retention Index | 1329 1329 1341 |
| Other Experimental Properties | Conversion factors: 1 mg/L is equivalent to 194 ppm; 1 ppm is equivalent to 0.00515 mg/L at 25 °C and 760 mm Hg |
| Chemical Classes | Other Classes -> Phenols |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.11 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 126.031694049 g/mol |
| Monoisotopic Mass | 126.031694049 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 84.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pyrogallic acid is an odorless white to gray solid. Sinks and mixes with water. (USCG, 1999)